| SpectraBase Compound ID | r4qJkviY8u |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-13(2)11-20-15(18)8-7-9-16(19)21-12-14(3)10-17(4,5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | TUHXXMJXSHSSCN-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1urKUgdYKPh |
|---|---|
| Name | Glutaric acid, isobutyl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-13(2)11-20-15(18)8-7-9-16(19)21-12-14(3)10-17(4,5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | TUHXXMJXSHSSCN-UHFFFAOYSA-N |
| SMILES | C(OCC(CC(C)(C)C)C)(=O)CCCC(OCC(C)C)=O |